1-({(2S)-4,4-difluoro-1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0796 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[(2-methylphenyl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C20 H25 F2 N5 O3 |
| Smiles: | Cc1ccccc1CC(N1CC(C[C@H]1Cn1cc(C(NCCOC)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9398 |
| logD: | 1.9398 |
| logSw: | -2.317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.687 |
| InChI Key: | YXIXOUOYLMPPPQ-MRXNPFEDSA-N |